Quantum Nature Research Articles

Revealing violations of macrorealism in flavor oscillations: Leggett-Garg inequalities and no-signaling-in-time conditions

Abstract. We briefly review recent developments in the study of the quantum nature of flavor mixing; in particular, the attention will be devoted to neutrino and neutral meson oscillations. We employ Leggett-Garg type inequalities and no-signaling-in-time conditions to probe the intrinsic quantumness of such a physical manifestation, showing how the analysis is not affected by the wave-packet spreading (for neutrinos) and the intrinsic particle instability (for mesons).

Water-air interface revisited by means of path-integral ab initio molecular dynamics.

Although nuclear quantum effects (NQEs) have been considered on bulk liquid water, the impact of these latter on the air-water interface has not yet been reported. Herein, by performing and comparing ab initio molecular dynamics (AIMD) and path integral AIMD (PI-AIMD) simulations, we reveal the impact of NQEs on structural, dynamical and electronic properties as well as IR spectra of the air-water interface at room temperature. NQEs, being able to describe a more accurate proton delocalization in H-bonded system than AIMD, reveal a different structural arrangement and dynamical behaviour of both bulk and interfacial water molecules in comparison to AIMD results. A more de-structured and de-bound water arrangement and coordination are identified when the quantum nature of nuclei are considered for both bulk and interfacial water molecules. Structural properties, such as inter-/intra-molecular bond lengths, coordination numbers and H-bonding angles of bulk and interfacial water molecules here calculated, are affected by NQEs mitigating the overstructured description given by AIMD. Further evidences of an AIMD overstructured description of bulk water are in the computed IR spectra, where an increased absorption peak intensity and an increased strength of the hydrogen-bond network are alleviated by NQEs. In addition, NQEs show a valuable impact on the electronic structure of the air-water interface, reducing the total valence bandwidth and the electronic energy band-gap when passing from bulk to interfacial water. This work proves how NQEs significantly affect properties and features of the air-water interface, that are essential to accurately describe H-bonded interfacial systems.

The electromagnetic field’s quantum nature and spin

The interaction of the electron (charge) with the electromagnetic field is investigated using the minimum coupling prescription, in which the electron’s spin appears in the Dirac and Pauli–Schrödinger equations. However, we analyze the use of this approach in Maxwell’s equations and the repercussions here. The application of this prescription resulted in novel electrodynamics associated with spin. The complex Maxwell’s equations are discovered to describe a massless electromagnetic field governed by the Dirac equation interacting with a particle with a double charge whose wavefunction is the electromagnetic field’s energy density. The conservation equation for electromagnetic field helicity (spin) is obtained directly from the new electrodynamics. We demonstrated that the quantization of the electromagnetic field (Maxwell’s equations) interacting with a photon field results in the electromagnetic field’s quantization. The energy density of the electromagnetic field is shown to fulfill a massless Dirac equation. This indicates the material nature of the electromagnetic field (photon). As a result, the electromagnetic spin charge and current densities are determined. We obtained the Josephson energy–current relationship from the spin current produced by an electromagnetic field. A quantum nonlinear Ohm’s law is developed. Quantum power and force associated with the quantum nature of the electromagnetic field are proposed.

Non-Aufbau electronic structure in radical enzymes and control of the highly reactive intermediates.

Radicals are highly reactive, short-lived chemical species that normally react indiscriminately with biological materials, and yet, nature has evolved thousands of enzymes that employ radicals to catalyze thermodynamically challenging chemistry. How these enzymes harness highly reactive radical intermediates to steer the catalysis to the correct outcome is a topic of intense investigation. Here, the results of detailed QM/MM calculations on archetype radical B12-enzymes are presented that provide new insights into how these enzymes control the reactivity of radicals within their active sites. The catalytic cycle in B12-enzymes is initiated through the formation of the 5'-deoxyadenosyl (Ado˙) moiety, a primary carbon-centred radical, which must migrate up to 8 Å to reach the target substrate to engage in the next step of the catalytic process, a hydrogen atom abstraction. Our calculations reveal that Ado˙ within the protein environment exhibits an unusual non-Aufbau electronic structure in which the singly occupied molecular orbital is lower in energy than the doubly occupied orbitals, an uncommon phenomenon known as SOMO-HOMO inversion (SHI). We find that the magnitude of SHI in the initially formed Ado˙ is larger compared to when the Ado˙ is near the intended substrate, leading to the former being relatively less reactive. The modulation of the SHI originates from Coulombic interactions of a quantum nature between a negative charge on a conserved glutamate residue and the spin on the Ado˙. Our findings support a novel hypothesis that these enzymes utilize this quantum Coulombic effect as a means of maintaining exquisite control over the chemistry of highly reactive radical intermediates in enzyme active sites.

Integrating artificial intelligence into the simulation of structured laser-driven high harmonic generation

High harmonic generation (HHG) stands as one of the most complex processes in strong-field physics, as it enables the conversion of laser light from the infrared to the extreme-ultraviolet or even the soft x-rays, enabling the synthesis and control of pulses lasting as short as tens of attoseconds. Accurately simulating this nonlinear and non-perturbative phenomena requires the coupling the dynamics of laser-driven electronic wavepackets, described by the three-dimensional time-dependent Schrödinger equation (3D-TDSE), with macroscopic Maxwell’s equations. Such calculations are extremely demanding due to the duality of microscopic and macroscopic nature of the process, thereby requiring the use of approximations. We develop a HHG method assisted by artificial intelligence that facilitates the simulation of macroscopic HHG within the framework of 3D-TDSE. This approach is particularly suited to simulate HHG driven by structured laser pulses. In particular, we demonstrate a self-interference effect in HHG driven by Hermite-Gauss beams. The theoretical and experimental agreement allows us to validate the AI-based model, and to identify a unique signature of the quantum nature of the HHG process.

Skyrmion qubits: Challenges for future quantum computing applications

Magnetic nano-skyrmions develop quantized helicity excitations, and the quantum tunneling between nano-skyrmions possessing distinct helicities is indicative of the quantum nature of these particles. Experimental methods capable of nondestructively resolving the quantum aspects of topological spin textures, their local dynamical response, and their functionality now promise practical device architectures for quantum operations. With abilities to measure, engineer, and control matter at the atomic level, nano-skyrmions present opportunities to translate ideas into solid-state technologies. Proof-of-concept devices will offer electrical control over the helicity, opening a promising new pathway toward functionalizing collective spin states for the realization of a quantum computer based on skyrmions. This Perspective aims to discuss developments and challenges in this new research avenue in quantum magnetism and quantum information.

The Quantum Concept of Consciousness: For or Against?

The study examines a problematic hypothesis of possible approaches to identifying the quantum physical foundations of the functioning of consciousness. The authors proceed from the fact that in modern conditions, not a single science, nor all sciences taken together, gives a final answer to the question of the “mechanism” of the origin of thought. However, this does not mean at all that research in this direction needs to be stopped. The authors express confidence that modern and subsequent research into the “quantum concept of consciousness” will lead to the identification of previously unknown patterns, opening the way to the formation of new principles and approaches. As an example, the corresponding Penrose - Hameroff concept is considered. Quantum mechanics complements the tools of neurobiology and other branches of neuroscience, which together form an interdisciplinary field of knowledge that is dynamically growing and developing. The authors are not apologists for the omnipotence of quantum physics. Quantum correlates of consciousness actually mean that it is not today’s quantum mechanics itself that explains the emergence of mental states, but the fact that in the birth of these states it is essential that in the very process of the formation of neurodynamic impulses in the neurons of the cerebral cortex that generate mental states, there are processes of quantum nature. It should also be recognized that the quantum-molecular level (nanolevel) of processes in the neurons of the brain really exists and it is this that is the source of proto-consciousness. Science strives to move forward, new research programs are emerging within the framework of quantum biology, quantum psychology, quantum information science, which in turn can shed light on the hypothesis of the “quantum concept of consciousness.”

Coupling Molecular Systems with Plasmonic Nanocavities: A Quantum Dynamics Approach.

Plasmonic nanoparticles have the capacity to confine electromagnetic fields to the subwavelength regime and provide strong coupling with few or even a single emitter at room temperature. The photophysical properties of the emitters are highly dependent on the relative distance and orientation between them and the nanocavity. Therefore, there is a need for accurate and general light-matter interaction models capable of guiding their design in application-oriented devices. In this work, we present a Hermitian formalism within the framework of quantum dynamics and based on first-principles electronic structure calculations. Our vibronic approach considers the quantum nature of the plasmonic excitations and the dynamics of nonradiative channels to model plasmonic nanocavities and their dipolar coupling to molecular electronic states. Thus, the quantized and dissipative nature of the nanocavity is fully addressed.

Super-resolution stimulated Raman scattering microscopy enhanced by quantum light and deconvolution

Stimulated Raman scattering (SRS) microscopy is a powerful tool for label-free chemical contrast bio-imaging. However, its spatial resolution is limited by diffraction; its noise level is also fundamentally limited by the shot noise due to the quantum nature of light. In this work, we apply the squeezed light technique associated with the deconvolution method to achieve quantum-enhanced super-resolution SRS microscopy. To generate squeezed pump light, we design a unique cascaded scheme by using two nonlinear crystals, in which the second-harmonic generation (SHG) from the first crystal is used to boost the SHG of the second crystal sequentially. Such a cascaded light squeezed scheme suppresses the shot noise down to 89.7% (1 dB), which can be readily applied to the existing conventional SRS microscopy. We combine the squeezed light-controlled SRS with the Richardson–Lucy deconvolution method to break the diffraction limit by improving the spatial resolution of ∼2.2-fold compared to conventional SRS imaging. We realize the quantum-enhanced super-resolution SRS imaging in a variety of samples (e.g., oleic acid, porcine muscle tissue), suggesting the potential of squeezed light SRS with deconvolution for label-free super-resolution chemical imaging in biological and biomedical systems.

Gravitationally induced decoherence vs space-time diffusion: testing the quantum nature of gravity

We consider two interacting systems when one is treated classically while the other system remains quantum. Consistent dynamics of this coupling has been shown to exist, and explored in the context of treating space-time classically. Here, we prove that any such hybrid dynamics necessarily results in decoherence of the quantum system, and a breakdown in predictability in the classical phase space. We further prove that a trade-off between the rate of this decoherence and the degree of diffusion induced in the classical system is a general feature of all classical quantum dynamics; long coherence times require strong diffusion in phase-space relative to the strength of the coupling. Applying the trade-off relation to gravity, we find a relationship between the strength of gravitationally-induced decoherence versus diffusion of the metric and its conjugate momenta. This provides an experimental signature of theories in which gravity is fundamentally classical. Bounds on decoherence rates arising from current interferometry experiments, combined with precision measurements of mass, place significant restrictions on theories where Einstein’s classical theory of gravity interacts with quantum matter. We find that part of the parameter space of such theories are already squeezed out, and provide figures of merit which can be used in future mass measurements and interference experiments.

The nature of the psyche and consciousness, quantum computers and information models in psychoinformatics (socionics)

Modeling the psyche, consciousness and artificial intelligence have encountered conceptual difficulties in understanding real mental processes. Numerous modern studies and experiments presented in the review indicate the probable quantum nature of the psyche and consciousness. The analysis shows that a number of quantum processes are associated with known classical processes and structures, from a single cell to the brain. Therefore, adequate modeling of mental processes, including consciousness and intelligence, is possible only on multiprocessor quantum computers with a special architecture corresponding to the real structure of the psyche. This possible architecture is proposed by the theory of information metabolism - socionics (psychoinformatics), in which detailed holistic information models of the psyche have been developed, which have been used in practice for more than 30 years and have proven their effectiveness. These models represent a system of mental functions of information metabolism, which can be simulated by special quantum processors interacting with each other according to certain laws

Decoherence of a composite particle induced by a weak quantized gravitational field

Even though we have some proposals for the quantum theory of gravity like string theory or loop quantum gravity, we do not have any experimental evidence supporting any of these theories. Actually, we do not have empirical evidence pointing in the direction that we really need a quantum description of the gravitational field. In this scenario, several proposals for experimentally investigating quantum gravitational effects far from the Planck scale have recently appeared in literature, like gravitationally induced entanglement, for instance. An important issue of these approaches is the decoherence introduced by the quantum nature not only of the system under consideration but also from the gravitational field itself. Here, by means of the Feynman–Vernon influence functional, we study the decoherence of a quantum system induced by the quantized gravitational field—in the linearized gravity regime—and also by its own quantum nature. Our results may be significant in better understanding many phenomena like the decoherence induced by the gravitational time-dilation, the quantum reference frames, and the quantum equivalence principle.

Numerically Exact Solution for a Real Polaritonic System under Vibrational Strong Coupling in Thermodynamic Equilibrium: Loss of Light-Matter Entanglement and Enhanced Fluctuations.

The first numerically exact simulation of a full ab initio molecular quantum system (HD+) under strong ro-vibrational coupling to a quantized optical cavity mode in thermal equilibrium is presented. Theoretical challenges in describing strongly coupled systems of mixed quantum statistics (bosons and Fermions) are discussed and circumvented by the specific choice of our molecular system. Our numerically exact simulations highlight the absence of zero temperature for the strongly coupled matter and light subsystems, due to cavity-induced noncanonical conditions. Furthermore, we explore the temperature dependency of light-matter quantum entanglement, which emerges for the ground state but is quickly lost already in the deep cryogenic regime. This is in contrast to predictions from the Jaynes-Cummings model, which is the standard starting point to model collective strong-coupling chemistry phenomenologically. Moreover, we find that the fluctuations of matter remain modified by the quantum nature of the thermal and vacuum-field fluctuations for significant temperatures, e.g., at ambient conditions. These observations (loss of entanglement and coupling to quantum fluctuations) have implications for the understanding and control of polaritonic chemistry and materials science, since a semiclassical theoretical description of light-matter interaction becomes reasonable, but the typical (classical) canonical equilibrium assumption for the nuclear subsystem remains violated. This opens the door for quantum fluctuation-induced stochastic resonance phenomena under vibrational strong coupling, which have been suggested as a plausible theoretical mechanism to explain the experimentally observed resonance phenomena in the absence of periodic driving that has not yet been fully understood.

Quantum Gates for Electronics Engineers

The design of a solid-state quantum processor is nowadays a hot research topic in microelectronics. Like the logic gates in a classical processor, quantum gates serve as the fundamental building blocks for quantum processors. The main goal of the present paper is to deduce the matrix of the main one- and two-qubit quantum gates from the Schrödinger equation. The mathematical formalism is kept as comfortable as possible for electronics engineers. This paper does not cover topics such as dissipations, state density, coherence, and state purity. In a similar manner, this paper also deals with the quantum nature of a quantum processor by leveraging the concept of a finite-state machine, which is a background notion for any electronics engineer.

Quantum tunneling of spin-1/2 and spin-3/2 particles in the black holes of asymptotically safe gravity

Hawking initiated study of radiations from black holes. The black hole thermodynamics holds a significant importance in understanding of quantum nature of gravity. In this article, Hawking radiations have been studied by employing the semi-classical perspective of quantum tunneling. Dirac and Rarita-Schwinger equations have been employed to determine the tunneling probabilities of spin-1/2 and spin-3/2 particles, respectively, in the background of black holes developed in the asymptotically safe gravity. Hawking temperature determined in both cases is in agreement.

Enhanced Gravitational Entanglement via Modulated Optomechanics

The role of entanglement in determining the non-classicality of a given interaction has gained significant traction over the last few years. In particular, as the basis for new experimental proposals to test the quantum nature of the gravitational field. Here we show that the rate of gravity mediated entanglement between two otherwise isolated optomechanical systems can be significantly increased by modulating the optomechanical coupling. This is most pronounced for low mass, high frequency systems – convenient for reaching the quantum regime – and can lead to improvements of several orders of magnitude, as well as a broadening of the measurement window. Nevertheless, significant obstacles still remain. In particular, we find that modulations increase decoherence effects at the same rate as the entanglement improvements. This adds to the growing evidence that the constraint on noise (acting on the position d.o.f) depends only on the particle mass, separation, and temperature of the environment and cannot be improved by novel quantum control. Finally, we highlight the close connection between the observation of quantum correlations and the limits of measurement precision derived via the Cramér-Rao Bound. An immediate consequence is that probing superpositions of the gravitational field places similar demands on detector sensitivity as entanglement verification.

Quantum reading of quantum information

We extend the notion of quantum reading to the case where the information to be retrieved, which is encoded into a set of quantum channels, is of quantum nature. We use two-qubit unitaries describing the system-environment interaction, with the initial environment state determining the system’s input-output channel and hence the encoded information. The performance of the most relevant two-qubit unitaries is determined with two different approaches: (i) one-shot quantum capacity of the channel arising between environment and system’s output; (ii) estimation of parameters characterizing the initial quantum state of the environment. The obtained results are mostly in (qualitative) agreement, with some distinguishing features that include the CNOT unitary.

Observation of resonant tunneling of proton from octahedral to tetrahedral sites in Pd

Hydrogen (H), the lightest element, exhibits quantum nature. Because the quantum tunneling is almost independent of temperature, H diffusion shows a transition from thermal hopping to quantum tunneling at low temperature. The role of the nuclear quantum effects on H diffusion, however, has not been clarified around the crossover region. Hence, we elucidate the hopping mechanism at intermediate temperature by a combination of accurate experimental data on H hopping rates and theoretical calculations for quantum states of H. We derived H hopping rates in Pd from the resistance evolution due to the H ordering associated with the 50 K anomaly. A gradual transition from thermal hopping to quantum tunneling was observed around 65 K. Three-dimensional quantum-mechanical analysis for the H quantum states revealed that the gradual transition is attributed to the resonant tunneling between the discrete vibrational states in the octahedral site and the tetrahedral site via the thermal vibrational excitation. Based on the results at different H concentrations and deuterium, we demonstrated that the tunneling rate is tuned by energy level matching and the resonance nature is manifested as the abruptness of the transition from thermal to quantum hopping.

Gravitational decoherence by the apparatus in the quantum-gravity-induced entanglement of masses

Abstract One of the outstanding questions in modern physics is how to test whether gravity is classical or quantum in a laboratory. Recently there has been a proposal to test the quantum nature of gravity by creating quantum superpositions of two nearby neutral masses, close enough that the quantum nature of gravity can entangle the two quantum systems, but still sufficiently far away that all other known Standard Model interactions remain negligible. However, preparing superposition states of a neutral mass (the light system) requires the vicinity of laboratory apparatus (the heavy system). We will suppose that such a heavy system can be modelled as another quantum system; since gravity is universal, the lighter system can get entangled with the heavier system, providing an inherent source of gravitational decoherence. In this paper, we will consider a toy model composed of two light and two heavy quantum oscillators prepared in the motional ground state, forming pairs of probe-detector systems, and study under what conditions the entanglement between two light systems evades the decoherence induced by the heavy systems. We conclude by estimating the decoherence in the proposed experiment for testing the quantum nature of gravity.

Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer

Water is a key ingredient for life and plays a central role as solvent in many biochemical reactions. However, the intrinsically quantum nature of the hydrogen nucleus, revealing itself in a large variety of physical manifestations, including proton transfer, gives rise to unexpected phenomena whose description is still elusive. Here we study, by a combination of state-of-the-art quantum Monte Carlo methods and path-integral molecular dynamics, the structure and hydrogen-bond dynamics of the protonated water hexamer, the fundamental unit for the hydrated proton. We report a remarkably low thermal expansion of the hydrogen bond from zero temperature up to 300 K, owing to the presence of short-Zundel configurations, characterised by proton delocalisation and favoured by the synergy of nuclear quantum effects and thermal activation. The hydrogen bond strength progressively weakens above 300 K, when localised Eigen-like configurations become relevant. Our analysis, supported by the instanton statistics of shuttling protons, reveals that the near-room-temperature range from 250 K to 300 K is optimal for proton transfer in the protonated water hexamer.